SCHEMBL20551861

SCHEMBL20551861

CCCc1c(C)ccc2[nH]cc(C[C@H](N)C(=O)O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ PMP22 Q01453 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ MTOR P42345 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20551860 0.90 KMT2A (0.51) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL20551898 0.87 KMT2A (0.48) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL20551239 0.83 KMT2A (0.55) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL20553123 0.80 KMT2A (0.58) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL20552207 0.79 KMT2A (0.50) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL20553126 0.79 TNF (0.44) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL26328298 0.79 HTR2A (0.50) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL21055747 0.78 KMT2A (0.62) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL18028997 0.78 KMT2A (0.62) KMT2AKDM4ELMNAMAPTTSHR
SCHEMBL109838 0.78 KMT2A (0.62) KMT2AKDM4ELMNAMAPTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621461-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS California Institute of Technology (US) 2020-03-18 — — EP disclosed
WO-2018204691-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-11-08 — — WO disclosed
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